ATOM 21
1 C8x C 31.2601 -13.4217
2 C8y C 29.8589 -13.4254
3 C8y C 29.1650 -14.6445
4 C8x C 29.8653 -15.8458
5 C8y C 31.2665 -15.8420
6 C8x C 31.9673 -14.6370
7 O1a O 29.1579 -12.2132
8 C1b C 31.9728 -17.0552
9 C2b C 31.2711 -18.2708
10 C2a C 31.9774 -19.4839
11 C8y C 27.7639 -14.6500
12 C8y C 27.0599 -13.4445
13 C8x C 25.6587 -13.4499
14 C8x C 24.9664 -14.6671
15 C8y C 25.6682 -15.8718
16 C8x C 27.0694 -15.8662
17 O1a O 27.7596 -12.2277
18 C2b C 24.9759 -17.0888
19 C2b C 25.6776 -18.3004
20 C1b C 24.9853 -19.5175
21 O1a O 25.6902 -20.7203
BOND 22
1 6 1 2
2 3 11 1
3 1 2 1
4 2 7 1
5 2 3 2
6 11 12 2
7 12 13 1
8 13 14 2
9 14 15 1
10 15 16 2
11 16 11 1
12 5 8 1
13 12 17 1
14 3 4 1
15 8 9 1
16 15 18 1
17 4 5 2
18 18 19 2
19 9 10 2
20 19 20 1
21 5 6 1
22 20 21 1
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